Artem Tsypin

Researcher, AXXX

Joined

May 2022

Names

Artem Tsypin (Preferred)

Emails

****@gmail.com (Confirmed)

****@airi.net (Confirmed)

****@axxx.tech (Confirmed)

Personal Links

Google Scholar

DBLP

ORCID

Career & Education History

Researcher

AXXX (axxx.tech)

2024 – Present

Researcher

Artificial Intelligence Research Institute (airi.net)

2021 – 2024

Researcher

Samsung (samsung.com)

2020 – 2021

MS student

Lomonosov Moscow State University (msu.ru)

2019 – 2021

Undergrad student

Lomonosov Moscow State University (msu.ru)

2015 – 2019

Advisors, Relations & Conflicts

Coauthor

Denis Potapov

2023 – Present

Coauthor

Kuzma Khrabrov

2022 – Present

Coauthor

Elena Tutubalina

2022 – Present

Coauthor

Artur Kadurin

2021 – Present

Coauthor

Dmitry Vetrov

2021 – Present

Coauthor

Arsenii Kuznetsov

2020 – 2022

Coauthor

Alexander Grishin

2020 – 2022

Expertise

Computational Chemistry

2022 – Present

Quantum Chemistry

2022 – Present

Deep Learning for Computational Chemistry

2022 – Present

Reinforcement Learning

2020 – 2022

Publications

$\nabla^2$DFT: A Universal Quantum Chemistry Dataset of Drug-Like Molecules and a Benchmark for Neural Network Potentials.
Kuzma Khrabrov, Anton Ber, Artem Tsypin, Konstantin Ushenin, Egor Rumiantsev, Alexander Telepov, Dmitry Protasov, Ilya Shenbin, Anton Alekseev 0001, Mikhail Shirokikh, Sergey I. Nikolenko, Elena Tutubalina, Artur Kadurin
- NeurIPS 2024
- Readers: Everyone
A conformational benchmark for optical property prediction with solvent-aware graph neural networks
Denis Potapov, Sergei Rogovoi, Kuzma Khrabrov, Konstantin Ushenin, Alexey Korovin, Anton Ber, Artur Kadurin, Artem Tsypin
- Communications Chemistry
- Readers: Everyone
LAGNet: better electron density prediction for LCAO-based data and drug-like substances
Konstantin Ushenin, Kuzma Khrabrov, Artem Tsypin, Anton Ber, Egor Rumiantsev, Artur Kadurin
- J. Cheminformatics 2025
- Readers: Everyone
Active Learning for Molecular Conformation Optimization with a Domain-Agnostic Neural Surrogate Oracle
Artem Tsypin, Kuzma Khrabrov, Denis Potapov, Alexey Semenchuk, Manvel Avetisian, Elena Tutubalina, Artur Kadurin
- ICLR 2026 Conference Withdrawn Submission
- Readers: Everyone
AFToolkit: a framework for molecular modeling of proteins with AlphaFold-derived representations
Maria Sindeeva, Alexander Telepov, Nikita Ivanisenko, Tatiana Shashkova, Kuzma Khrabrov, Artem Tsypin, Artur Kadurin, Olga Kardymon
- Briefings in Bioinformatics
- Readers: Everyone
Automating control of overestimation bias for continuous reinforcement learning
Arsenii Kuznetsov, Alexander Grishin, Artem Tsypin, Arsenii Ashukha, Artur Kadurin, Dmitry Vetrov
- Arxiv preprint
- Readers: Everyone
$\nabla^2$DFT: A Universal Quantum Chemistry Dataset of Drug-Like Molecules and a Benchmark for Neural Network Potentials
Kuzma Khrabrov, Anton Ber, Artem Tsypin, Konstantin Ushenin, Egor Rumiantsev, Alexander Telepov, Dmitry Protasov, Ilya Shenbin, Anton M. Alekseev, Mikhail Shirokikh, Sergey Nikolenko, Elena Tutubalina, Artur Kadurin
- NeurIPS 2024 Track Datasets and Benchmarks Poster
- Readers: Everyone
Gradual Optimization Learning for Conformational Energy Minimization
Artem Tsypin, Leonid Ugadiarov, Kuzma Khrabrov, Alexander Telepov, Egor Rumiantsev, Alexey Skrynnik, Aleksandr Panov, Dmitry P. Vetrov, Elena Tutubalina, Artur Kadurin
- ICLR 2024
- Readers: Everyone
Gradual Optimization Learning for Conformational Energy Minimization
Artem Tsypin, Leonid Anatolievich Ugadiarov, Kuzma Khrabrov, Alexander Telepov, Egor Rumiantsev, Alexey Skrynnik, Aleksandr Panov, Dmitry P. Vetrov, Elena Tutubalina, Artur Kadurin
- ICLR 2024 poster
- Readers: Everyone
FREED++: Improving RL Agents for Fragment-Based Molecule Generation by Thorough Reproduction
Alexander Telepov, Artem Tsypin, Kuzma Khrabrov, Sergey Yakukhnov, Pavel Strashnov, Petr Zhilyaev, Egor Rumiantsev, Daniel Ezhov, Manvel Avetisian, Olga Popova, Artur Kadurin
- Accepted by TMLR
- Readers: Everyone

View all 12 publications

Co-Authors

View all 39 co-authors